![1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran structure](/static/products/360/36051-81-7.png)
1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran
TL;DR: 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran (CAS 36051-81-7) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene
Also Known As: 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran, 3a,4,5,6-Tetrahydro-1H,3H-naphtho[1,8-cd]pyran, 1H,3H-Naphtho[1,8-cd]pyran, 3a,4,5,6-tetrahydro-, 3a,4,5,6-Tetrahydro-1H,3H-benzo[de]isochromene #, 3-oxatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 36051-81-7 |
|---|---|
| SMILES | C1CC2COCC3=CC=CC(=C23)C1 |
| InChIKey | ALAAVTWUDBQBBA-UHFFFAOYSA-N |
Product Overview
1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran (CAS 36051-81-7), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene.
Chemical Property Profile of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran
Property Insights of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran?
The CAS number of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran is 36051-81-7.
What is the molecular formula of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran?
The molecular formula of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran is C12H14O.
What is the molecular weight of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran?
The molecular weight of 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran is 174.10 g/mol.
Where can I buy 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran?
You can request a quote for 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,5,6-Hexahydronaphtho[1,8-cd]pyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.